1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol

C18H27FN2O2 — CID 16876993

IUPAC1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESOC(COC1CCCC1)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O2/c19-15-5-7-16(8-6-15)21-11-9-20(10-12-21)13-17(22)14-23-18-3-1-2-4-18/h5-8,17-18,22H,1-4,9-14H2
InChIKeyPPTJENSVBHRBEM-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.27
Rot. Bonds6

About 1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol

1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol (PubChem CID 16876993) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
PubChem CID16876993
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
SMILESOC(COC1CCCC1)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN2O2/c19-15-5-7-16(8-6-15)21-11-9-20(10-12-21)13-17(22)14-23-18-3-1-2-4-18/h5-8,17-18,22H,1-4,9-14H2
InChIKeyPPTJENSVBHRBEM-UHFFFAOYSA-N
XLogP2.27
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol (CID 16876993) is 1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol is OC(COC1CCCC1)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is PPTJENSVBHRBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c19-15-5-7-16(8-6-15)21-11-9-20(10-12-21)13-17(22)14-23-18-3-1-2-4-18/h5-8,17-18,22H,1-4,9-14H2.
What are the key properties of 1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol?
1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 322.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 16876993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).